CID 76468

Docosanamide

Structural Information

Molecular Formula
C22H45NO
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N
InChI
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
InChIKey
ORAWFNKFUWGRJG-UHFFFAOYSA-N
Compound name
docosanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

21282
Patents

339.35013 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.357406 197.6
[M+Na]+ 362.339348 197.3
[M-H]- 338.342854 194.2
[M+NH4]+ 357.383953 210.7
[M+K]+ 378.313288 192.8
[M+H-H2O]+ 322.347390 189.6
[M+HCOO]- 384.348331 215.8
[M+CH3COO]- 398.363981 221.4
[M+Na-2H]- 360.324796 194.0
[M]+ 339.34958142 203.2
[M]- 339.35067858 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe